3-pyridin-4-ylpropyl 4-nitrobenzoate hydrochloride

Systemtic Name: 3-pyridin-4-ylpropyl 4-nitrobenzoate hydrochloride Openeye Name: 3-(4-pyridyl)propyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 3-pyridin-4-ylpropyl ester hydrochloride IUPAC Name: 3-pyridin-4-ylpropyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 3-(4-pyridyl)propyl ester hydrochloride Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC2=CC=NC=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC2=CC=NC=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H14N2O4.ClH/c18-15(13-3-5-14(6-4-13)17(19)20)21-11-1-2-12-7-9-16-10-8-12;/h3-10H,1-2,11H2;1H